Boc-N-methyl-L-leucine

C₁₂H₂₃NO₄CAS 53363-89-6245.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₂₃NO₄
Molar mass: 245.32 g/mol
Exact mass: 245.1627 Da
logP: 2.35Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53363-89-6

SMILES

CC(C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C

InChIKey

YXJFAOXATCRIKU-VIFPVBQESA-N

InChI

InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1

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Work with Boc-N-methyl-L-leucine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-N-me-ser-oh101772-29-671 % similar Boc-N-methyl-L-alanine16948-16-663 % similar Boc-N-methyl-D-alanine19914-38-663 % similar Boc-N-methyl-L-valine45170-31-862 % similar (R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid89536-85-662 % similar Boc-N-methyl-L-phenylalanine37553-65-462 % similar N-Boc-N-methyl-D-phenylalanine85466-66-662 % similar Boc-MeTyr-OH82038-34-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-4 Boc-L-beta-homoleucine132549-43-0 (3R,4S)-3-(((tert-Butoxy)carbonyl)amino)-4-methylhexanoic acid218608-82-3 Boc-N-methyl-L-isoleucine52498-32-5 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-4 Boc-leu-ome63096-02-6 Di-tert-butyl iminodiacetate85916-13-8

Elsewhere

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